MRCPP-2.0 wishlist
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stigrj commented
Dear 🤶
Please edit and add new features at will.
- make
FunctionTree
copyable - introduce callable projectors and operators that return new
FunctionTree
- switch to absolute precision measure rather than relative
- incorporate
4*pi
into Poisson and Helmholtz operators - MPI distributable
FunctionTree
- 6D capabilities?
Import from MRChem:
- complex functions
- tensor operators and extend to functions?
- fast addition/rotation
- fast exchange